Sentence examples for best active site from inspiring English sources

The active site prediction for the model was performed by using the CastP [34] server and the prediction having the largest area was selected as the best active site.

In this study, we have also evaluated the best active site area of the aforementioned four experimental proteins, along with the number of amino acids involved with that site.

During the molecular docking procedure, the program selects only best fit active site pocket of the protein with respect to the ligands in order to dock them.

Molecular modeling and analysis of the targets helped to uncover the best possible active sites that can be targeted for drug design.

Docking analysis of the best active compounds in the active site of 2XCT revealed that the hydrogen bond, π π stacking, π cation and metal co-ordination interactions are important for the activity of these compounds.

This suggests that substitutions at these positions offer the best fit in the active site.

It was found that the most active compounds demonstrated the best binding scores in the active site of EGFR, which may clarify their high inhibition profile.

Among the 18 tripeptides, Phe Arg Asp and Tyr Arg Asp fit the active site the best and their structural similarity should be considered in the design process.

Ten conformers of each molecule were automatically formed, which are the best fit into the defined active site cavities.

On the basis of structural analysis combined with kinetic assays, we demonstrate that the final modified product with seven sugar rings is best suited for occupying the full active site and shows the most efficient inhibition of HPA.

According to the experimental data, the P-gp drug binding pocket comprises mostly hydrophobic and aromatic residues [ 23]. Figure 3 shows the docking solution for the binding of Saquinavir to the P-gp active site (one of best scores of the set in simulation 5), as an example of the characteristic interactions found for binders.